2,4-diethoxy-N-[4-(morpholine-4-carbonyl)phenyl]benzamide

C22H26N2O5 — CID 6469687

IUPAC2,4-diethoxy-N-[4-(morpholine-4-carbonyl)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)c(OCC)c1
InChIInChI=1S/C22H26N2O5/c1-3-28-18-9-10-19(20(15-18)29-4-2)21(25)23-17-7-5-16(6-8-17)22(26)24-11-13-27-14-12-24/h5-10,15H,3-4,11-14H2,1-2H3,(H,23,25)
InChIKeyPKVLOPOICOBSIJ-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.21
Rot. Bonds7

About 2,4-diethoxy-N-[4-(morpholine-4-carbonyl)phenyl]benzamide

2,4-diethoxy-N-[4-(morpholine-4-carbonyl)phenyl]benzamide (PubChem CID 6469687) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is 2,4-diethoxy-N-[4-(morpholine-4-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name2,4-diethoxy-N-[4-(morpholine-4-carbonyl)phenyl]benzamide
PubChem CID6469687
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC Name2,4-diethoxy-N-[4-(morpholine-4-carbonyl)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)c(OCC)c1
InChIInChI=1S/C22H26N2O5/c1-3-28-18-9-10-19(20(15-18)29-4-2)21(25)23-17-7-5-16(6-8-17)22(26)24-11-13-27-14-12-24/h5-10,15H,3-4,11-14H2,1-2H3,(H,23,25)
InChIKeyPKVLOPOICOBSIJ-UHFFFAOYSA-N
XLogP3.21
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-diethoxy-N-[4-(morpholine-4-carbonyl)phenyl]benzamide?
The IUPAC name of 2,4-diethoxy-N-[4-(morpholine-4-carbonyl)phenyl]benzamide (CID 6469687) is 2,4-diethoxy-N-[4-(morpholine-4-carbonyl)phenyl]benzamide.
What is the SMILES notation for 2,4-diethoxy-N-[4-(morpholine-4-carbonyl)phenyl]benzamide?
The canonical SMILES for 2,4-diethoxy-N-[4-(morpholine-4-carbonyl)phenyl]benzamide is CCOc1ccc(C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)c(OCC)c1.
What is the InChIKey of 2,4-diethoxy-N-[4-(morpholine-4-carbonyl)phenyl]benzamide?
The InChIKey is PKVLOPOICOBSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5/c1-3-28-18-9-10-19(20(15-18)29-4-2)21(25)23-17-7-5-16(6-8-17)22(26)24-11-13-27-14-12-24/h5-10,15H,3-4,11-14H2,1-2H3,(H,23,25).
What are the key properties of 2,4-diethoxy-N-[4-(morpholine-4-carbonyl)phenyl]benzamide?
2,4-diethoxy-N-[4-(morpholine-4-carbonyl)phenyl]benzamide has a molecular weight of 398.46 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethoxy-N-[4-(morpholine-4-carbonyl)phenyl]benzamide is sourced from PubChem (CID 6469687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).